Information card for entry 4023929

Structure parameters

• Formula: C15 H27 I O3 Si
• Calculated formula: C15 H27 I O3 Si
• SMILES: IC[C@]12OC(=O)C[C@]1(C[C@@H](O[Si](C)(C)C(C)(C)C)C2)C.IC[C@@]12OC(=O)C[C@@]1(C[C@H](O[Si](C)(C)C(C)(C)C)C2)C
• Title of publication: Total Synthesis of Spirotenuipesines A and B
• Authors of publication: Mingji Dai; Isaac J. Krauss; Samuel J. Danishefsky
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9576 - 9583
• a: 20.338 ± 0.002 Å
• b: 7.5857 ± 0.0008 Å
• c: 12.0204 ± 0.0013 Å
• α: 90°
• β: 98.046 ± 0.002°
• γ: 90°
• Cell volume: 1836.2 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No